Chemical Properties of Oxetane, 3,3-dimethyl-

InChI

InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3

InChI Key

RVGLUKRYMXEQAH-UHFFFAOYSA-N

Formula

C5H10O

SMILES

CC1(C)COC1

Molecular Weight¹

86.13

Other Names

• .beta.-.beta.'-dimethyltrimethylene oxide
• 1,3-Epoxy-2,2-dimethylpropane
• 3,3-Dimethyltrimethylene oxide
• 3,3-dimethyloxetane
• Propane, 1,3-epoxy-2,2-dimethyl-
• «beta»,«beta»-Dimethyltrimethylene oxide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-3214.50; -3140.20]	kJ/mol
ΔcH°liquid	-3214.50 ± 1.60	kJ/mol	NIST
ΔcH°liquid	-3140.20 ± 0.20	kJ/mol	NIST
ΔfH°gas	-148.20 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-182.20 ± 1.60	kJ/mol	NIST
ΔfusH°	6.42	kJ/mol	Joback Calculated Property
ΔvapH°	[33.90; 34.07]	kJ/mol
ΔvapH°	34.07	kJ/mol	NIST
ΔvapH°	33.94 ± 0.29	kJ/mol	NIST
ΔvapH°	34.00	kJ/mol	NIST
ΔvapH°	33.90 ± 0.30	kJ/mol	NIST
IE	9.52	eV	Relay (1.0) Calculated Property
logPoct/wat	1.043		Crippen Calculated Property
McVol	76.320	ml/mol	McGowan Calculated Property
Pc	4403.25	kPa	Joback Calculated Property
Inp	[648.00; 666.00]
Inp	666.00		NIST
Inp	648.00		NIST
Tboil	[349.65; 353.70]	K
Tboil	352.80	K	Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa
Tboil	353.70	K	NIST
Tboil	349.65 ± 2.00	K	NIST
Tfus	213.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.57; 193.48]	J/mol×K	[352.20; 550.18]
Cp,gas	131.57	J/mol×K	352.20	Joback Calculated Property
Cp,gas	144.15	J/mol×K	385.20	Joback Calculated Property
Cp,gas	155.72	J/mol×K	418.19	Joback Calculated Property
Cp,gas	166.34	J/mol×K	451.19	Joback Calculated Property
Cp,gas	176.12	J/mol×K	484.19	Joback Calculated Property
Cp,gas	185.14	J/mol×K	517.18	Joback Calculated Property
Cp,gas	193.48	J/mol×K	550.18	Joback Calculated Property
ΔvapH	30.85	kJ/mol	353.70	NIST
Pvap	101.30	kPa	352.80	Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa

Similar Compounds

Find more compounds similar to Oxetane, 3,3-dimethyl-.

Mixtures

• Oxetane, 3,3-dimethyl- + Cyclohexane, methyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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